3-[(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-(4-tert-butylphenoxy)-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-[(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-(4-tert-butylphenoxy)-4H-pyrido[1,2-a]pyrimidin-4-one
3-[(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-(4-tert-butylphenoxy)-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | Y070-1990 |
| Compound Name: | 3-[(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-(4-tert-butylphenoxy)-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 493.65 |
| Molecular Formula: | C26 H27 N3 O3 S2 |
| Smiles: | CCCCN1C(/C(=C/C2=C(N=C3C=CC=CN3C2=O)Oc2ccc(cc2)C(C)(C)C)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0454 |
| logD: | 6.0454 |
| logSw: | -5.3298 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 49.196 |
| InChI Key: | MSIURFKKWBNPTJ-UHFFFAOYSA-N |